barium(2+);ethanol;hydride;titanium;trihydrate

C2H14BaO4Ti — CID 173159378

IUPACbarium(2+);ethanol;hydride;titanium;trihydrate
SMILESCCO.O.O.O.[Ba+2].[H-].[H-].[Ti]
InChIInChI=1S/C2H6O.Ba.3H2O.Ti.2H/c1-2-3;;;;;;;/h3H,2H2,1H3;;3*1H2;;;/q;+2;;;;;2*-1
InChIKeyRDTLLIQBRSMAGW-UHFFFAOYSA-N
MW287.32 g/mol
LogP-2.63
Rot. Bonds

About barium(2+);ethanol;hydride;titanium;trihydrate

barium(2+);ethanol;hydride;titanium;trihydrate (PubChem CID 173159378) has the molecular formula C2H14BaO4Ti and a molecular weight of 287.32 g/mol. Its IUPAC name is barium(2+);ethanol;hydride;titanium;trihydrate.

Molecular Properties

Compound Namebarium(2+);ethanol;hydride;titanium;trihydrate
PubChem CID173159378
Molecular FormulaC2H14BaO4Ti
Molecular Weight287.32 g/mol
Exact Mass287.94
IUPAC Namebarium(2+);ethanol;hydride;titanium;trihydrate
SMILESCCO.O.O.O.[Ba+2].[H-].[H-].[Ti]
InChIInChI=1S/C2H6O.Ba.3H2O.Ti.2H/c1-2-3;;;;;;;/h3H,2H2,1H3;;3*1H2;;;/q;+2;;;;;2*-1
InChIKeyRDTLLIQBRSMAGW-UHFFFAOYSA-N
XLogP-2.63
TPSA114.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of barium(2+);ethanol;hydride;titanium;trihydrate?
The IUPAC name of barium(2+);ethanol;hydride;titanium;trihydrate (CID 173159378) is barium(2+);ethanol;hydride;titanium;trihydrate.
What is the SMILES notation for barium(2+);ethanol;hydride;titanium;trihydrate?
The canonical SMILES for barium(2+);ethanol;hydride;titanium;trihydrate is CCO.O.O.O.[Ba+2].[H-].[H-].[Ti].
What is the InChIKey of barium(2+);ethanol;hydride;titanium;trihydrate?
The InChIKey is RDTLLIQBRSMAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.Ba.3H2O.Ti.2H/c1-2-3;;;;;;;/h3H,2H2,1H3;;3*1H2;;;/q;+2;;;;;2*-1.
What are the key properties of barium(2+);ethanol;hydride;titanium;trihydrate?
barium(2+);ethanol;hydride;titanium;trihydrate has a molecular weight of 287.32 g/mol, XLogP of -2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);ethanol;hydride;titanium;trihydrate is sourced from PubChem (CID 173159378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).